# By using this file you agree to the legally binding terms of use found at # https://github.com/google-deepmind/alphafold3/blob/main/OUTPUT_TERMS_OF_USE.md. # To request access to the AlphaFold 3 model parameters, follow the process set # out at https://github.com/google-deepmind/alphafold3. You may only use these if # received directly from Google. Use is subject to terms of use available at # https://github.com/google-deepmind/alphafold3/blob/main/WEIGHTS_TERMS_OF_USE.md. data_spkb15032 # _entry.id spkb15032 # loop_ _atom_type.symbol C N O S # loop_ _audit_author.name _audit_author.pdbx_ordinal "Google DeepMind" 1 "Isomorphic Labs" 2 # _audit_conform.dict_location https://raw.githubusercontent.com/ihmwg/ModelCIF/master/dist/mmcif_ma.dic _audit_conform.dict_name mmcif_ma.dic _audit_conform.dict_version 1.4.5 # loop_ _chem_comp.formula _chem_comp.formula_weight _chem_comp.id _chem_comp.mon_nstd_flag _chem_comp.name _chem_comp.pdbx_smiles _chem_comp.pdbx_synonyms _chem_comp.type "C3 H7 N O2" 89.093 ALA y ALANINE C[C@@H](C(=O)O)N ? "L-PEPTIDE LINKING" "C6 H15 N4 O2" 175.209 ARG y ARGININE C(C[C@@H](C(=O)O)N)CNC(=[NH2+])N ? "L-PEPTIDE LINKING" "C6 H13 N O2" 131.173 LEU y LEUCINE CC(C)C[C@@H](C(=O)O)N ? "L-PEPTIDE LINKING" "C6 H15 N2 O2" 147.195 LYS y LYSINE C(CC[NH3+])C[C@@H](C(=O)O)N ? "L-PEPTIDE LINKING" "C5 H11 N O2 S" 149.211 MET y METHIONINE CSCC[C@@H](C(=O)O)N ? "L-PEPTIDE LINKING" "C5 H9 N O2" 115.130 PRO y PROLINE C1C[C@H](NC1)C(=O)O ? "L-PEPTIDE LINKING" "C3 H7 N O3" 105.093 SER y SERINE C([C@@H](C(=O)O)N)O ? "L-PEPTIDE LINKING" "C4 H9 N O3" 119.119 THR y THREONINE C[C@H]([C@@H](C(=O)O)N)O ? "L-PEPTIDE LINKING" # _citation.book_publisher ? _citation.country UK _citation.id primary _citation.journal_full Nature _citation.journal_id_ASTM NATUAS _citation.journal_id_CSD 0006 _citation.journal_id_ISSN 0028-0836 _citation.journal_volume 630 _citation.page_first 493 _citation.page_last 500 _citation.pdbx_database_id_DOI 10.1038/s41586-024-07487-w _citation.pdbx_database_id_PubMed 38718835 _citation.title "Accurate structure prediction of biomolecular interactions with AlphaFold 3" _citation.year 2024 # loop_ _citation_author.citation_id _citation_author.name _citation_author.ordinal primary "Google DeepMind" 1 primary "Isomorphic Labs" 2 # _entity.id 1 _entity.pdbx_description . _entity.type polymer # _entity_poly.entity_id 1 _entity_poly.pdbx_strand_id A _entity_poly.type polypeptide(L) # loop_ _entity_poly_seq.entity_id _entity_poly_seq.hetero _entity_poly_seq.mon_id _entity_poly_seq.num 1 n MET 1 1 n ARG 2 1 n LEU 3 1 n SER 4 1 n PRO 5 1 n ALA 6 1 n PRO 7 1 n LEU 8 1 n LYS 9 1 n LEU 10 1 n SER 11 1 n ARG 12 1 n THR 13 1 n PRO 14 1 n ALA 15 1 n LEU 16 1 n LEU 17 1 n ALA 18 1 n LEU 19 1 n ALA 20 1 n LEU 21 1 n PRO 22 1 n LEU 23 1 n ALA 24 1 n ALA 25 1 n ALA 26 1 n LEU 27 1 n ALA 28 # _ma_data.content_type "model coordinates" _ma_data.id 1 _ma_data.name Model # _ma_model_list.data_id 1 _ma_model_list.model_group_id 1 _ma_model_list.model_group_name "AlphaFold-beta-20231127 (3.0.0 @ 2025-07-09 05:36:47)" _ma_model_list.model_id 1 _ma_model_list.model_name "Top ranked model" _ma_model_list.model_type "Ab initio model" _ma_model_list.ordinal_id 1 # loop_ _ma_protocol_step.method_type _ma_protocol_step.ordinal_id _ma_protocol_step.protocol_id _ma_protocol_step.step_id "coevolution MSA" 1 1 1 "template search" 2 1 2 modeling 3 1 3 # loop_ _ma_qa_metric.id _ma_qa_metric.mode _ma_qa_metric.name _ma_qa_metric.software_group_id _ma_qa_metric.type 1 global pLDDT 1 pLDDT 2 local pLDDT 1 pLDDT # _ma_qa_metric_global.metric_id 1 _ma_qa_metric_global.metric_value 86.88 _ma_qa_metric_global.model_id 1 _ma_qa_metric_global.ordinal_id 1 # loop_ _ma_qa_metric_local.label_asym_id _ma_qa_metric_local.label_comp_id _ma_qa_metric_local.label_seq_id _ma_qa_metric_local.metric_id _ma_qa_metric_local.metric_value _ma_qa_metric_local.model_id _ma_qa_metric_local.ordinal_id A MET 1 2 78.02 1 1 A ARG 2 2 74.97 1 2 A LEU 3 2 80.71 1 3 A SER 4 2 82.48 1 4 A PRO 5 2 84.29 1 5 A ALA 6 2 84.14 1 6 A PRO 7 2 83.84 1 7 A LEU 8 2 79.41 1 8 A LYS 9 2 75.69 1 9 A LEU 10 2 80.20 1 10 A SER 11 2 81.45 1 11 A ARG 12 2 77.57 1 12 A THR 13 2 89.21 1 13 A PRO 14 2 92.14 1 14 A ALA 15 2 94.71 1 15 A LEU 16 2 92.91 1 16 A LEU 17 2 92.09 1 17 A ALA 18 2 95.94 1 18 A LEU 19 2 92.86 1 19 A ALA 20 2 96.84 1 20 A LEU 21 2 93.16 1 21 A PRO 22 2 96.18 1 22 A LEU 23 2 93.42 1 23 A ALA 24 2 96.95 1 24 A ALA 25 2 96.68 1 25 A ALA 26 2 96.73 1 26 A LEU 27 2 91.86 1 27 A ALA 28 2 86.65 1 28 # _ma_software_group.group_id 1 _ma_software_group.ordinal_id 1 _ma_software_group.software_id 1 # _ma_target_entity.data_id 1 _ma_target_entity.entity_id 1 _ma_target_entity.origin . # _ma_target_entity_instance.asym_id A _ma_target_entity_instance.details . _ma_target_entity_instance.entity_id 1 # loop_ _pdbx_data_usage.details _pdbx_data_usage.id _pdbx_data_usage.type _pdbx_data_usage.url ;Non-commercial use only, by using this file you agree to the terms of use found at https://github.com/google-deepmind/alphafold3/blob/main/OUTPUT_TERMS_OF_USE.md. To request access to the AlphaFold 3 model parameters, follow the process set out at https://github.com/google-deepmind/alphafold3. You may only use these if received directly from Google. Use is subject to terms of use available at https://github.com/google-deepmind/alphafold3/blob/main/WEIGHTS_TERMS_OF_USE.md. ; 1 license https://github.com/google-deepmind/alphafold3/blob/main/OUTPUT_TERMS_OF_USE.md ;AlphaFold 3 and its output are not intended for, have not been validated for, and are not approved for clinical use. They are provided "as-is" without any warranty of any kind, whether expressed or implied. No warranty is given that use shall not infringe the rights of any third party. ; 2 disclaimer ? # loop_ _pdbx_poly_seq_scheme.asym_id _pdbx_poly_seq_scheme.auth_seq_num _pdbx_poly_seq_scheme.entity_id _pdbx_poly_seq_scheme.hetero _pdbx_poly_seq_scheme.mon_id _pdbx_poly_seq_scheme.pdb_ins_code _pdbx_poly_seq_scheme.pdb_seq_num _pdbx_poly_seq_scheme.pdb_strand_id _pdbx_poly_seq_scheme.seq_id A 1 1 n MET . 1 A 1 A 2 1 n ARG . 2 A 2 A 3 1 n LEU . 3 A 3 A 4 1 n SER . 4 A 4 A 5 1 n PRO . 5 A 5 A 6 1 n ALA . 6 A 6 A 7 1 n PRO . 7 A 7 A 8 1 n LEU . 8 A 8 A 9 1 n LYS . 9 A 9 A 10 1 n LEU . 10 A 10 A 11 1 n SER . 11 A 11 A 12 1 n ARG . 12 A 12 A 13 1 n THR . 13 A 13 A 14 1 n PRO . 14 A 14 A 15 1 n ALA . 15 A 15 A 16 1 n LEU . 16 A 16 A 17 1 n LEU . 17 A 17 A 18 1 n ALA . 18 A 18 A 19 1 n LEU . 19 A 19 A 20 1 n ALA . 20 A 20 A 21 1 n LEU . 21 A 21 A 22 1 n PRO . 22 A 22 A 23 1 n LEU . 23 A 23 A 24 1 n ALA . 24 A 24 A 25 1 n ALA . 25 A 25 A 26 1 n ALA . 26 A 26 A 27 1 n LEU . 27 A 27 A 28 1 n ALA . 28 A 28 # _software.classification other _software.date ? _software.description "Structure prediction" _software.name AlphaFold _software.pdbx_ordinal 1 _software.type package _software.version "AlphaFold-beta-20231127 (9ceee3b5f7825b611ab42eaad843248507ced2da1e745fa3b3d93c6c4ad3ca74)" # _struct_asym.entity_id 1 _struct_asym.id A # loop_ _atom_site.group_PDB _atom_site.id _atom_site.type_symbol _atom_site.label_atom_id _atom_site.label_alt_id _atom_site.label_comp_id _atom_site.label_asym_id _atom_site.label_entity_id _atom_site.label_seq_id _atom_site.pdbx_PDB_ins_code _atom_site.Cartn_x _atom_site.Cartn_y _atom_site.Cartn_z _atom_site.occupancy _atom_site.B_iso_or_equiv _atom_site.auth_seq_id _atom_site.auth_asym_id _atom_site.pdbx_PDB_model_num ATOM 1 N N . MET A 1 1 ? -30.989 1.093 11.536 1.00 81.98 1 A 1 ATOM 2 C CA . MET A 1 1 ? -29.529 1.339 11.504 1.00 83.56 1 A 1 ATOM 3 C C . MET A 1 1 ? -28.875 0.231 10.698 1.00 85.48 1 A 1 ATOM 4 O O . MET A 1 1 ? -29.196 -0.928 10.906 1.00 81.07 1 A 1 ATOM 5 C CB . MET A 1 1 ? -28.945 1.382 12.916 1.00 79.78 1 A 1 ATOM 6 C CG . MET A 1 1 ? -29.385 2.654 13.649 1.00 75.83 1 A 1 ATOM 7 S SD . MET A 1 1 ? -28.706 2.765 15.322 1.00 73.18 1 A 1 ATOM 8 C CE . MET A 1 1 ? -29.307 4.381 15.814 1.00 63.27 1 A 1 ATOM 9 N N . ARG A 1 2 ? -28.040 0.583 9.739 1.00 84.90 2 A 1 ATOM 10 C CA . ARG A 1 2 ? -27.354 -0.393 8.877 1.00 86.22 2 A 1 ATOM 11 C C . ARG A 1 2 ? -26.100 -0.886 9.593 1.00 87.56 2 A 1 ATOM 12 O O . ARG A 1 2 ? -25.385 -0.081 10.175 1.00 83.30 2 A 1 ATOM 13 C CB . ARG A 1 2 ? -27.055 0.270 7.518 1.00 82.65 2 A 1 ATOM 14 C CG . ARG A 1 2 ? -26.606 -0.729 6.451 1.00 75.34 2 A 1 ATOM 15 C CD . ARG A 1 2 ? -26.420 -0.009 5.118 1.00 75.57 2 A 1 ATOM 16 N NE . ARG A 1 2 ? -26.024 -0.943 4.046 1.00 68.05 2 A 1 ATOM 17 C CZ . ARG A 1 2 ? -25.607 -0.589 2.840 1.00 64.38 2 A 1 ATOM 18 N NH1 . ARG A 1 2 ? -25.505 0.657 2.475 1.00 58.59 2 A 1 ATOM 19 N NH2 . ARG A 1 2 ? -25.270 -1.504 1.972 1.00 58.12 2 A 1 ATOM 20 N N . LEU A 1 3 ? -25.827 -2.202 9.548 1.00 86.27 3 A 1 ATOM 21 C CA . LEU A 1 3 ? -24.577 -2.766 10.063 1.00 85.32 3 A 1 ATOM 22 C C . LEU A 1 3 ? -23.404 -2.182 9.273 1.00 86.63 3 A 1 ATOM 23 O O . LEU A 1 3 ? -23.454 -2.126 8.044 1.00 81.89 3 A 1 ATOM 24 C CB . LEU A 1 3 ? -24.606 -4.297 9.958 1.00 82.92 3 A 1 ATOM 25 C CG . LEU A 1 3 ? -25.629 -4.961 10.888 1.00 78.20 3 A 1 ATOM 26 C CD1 . LEU A 1 3 ? -25.760 -6.444 10.549 1.00 73.56 3 A 1 ATOM 27 C CD2 . LEU A 1 3 ? -25.220 -4.841 12.358 1.00 70.88 3 A 1 ATOM 28 N N . SER A 1 4 ? -22.377 -1.729 9.958 1.00 85.37 4 A 1 ATOM 29 C CA . SER A 1 4 ? -21.184 -1.174 9.320 1.00 85.62 4 A 1 ATOM 30 C C . SER A 1 4 ? -20.458 -2.268 8.542 1.00 86.11 4 A 1 ATOM 31 O O . SER A 1 4 ? -20.047 -3.261 9.147 1.00 83.47 4 A 1 ATOM 32 C CB . SER A 1 4 ? -20.242 -0.563 10.358 1.00 82.58 4 A 1 ATOM 33 O OG . SER A 1 4 ? -20.906 0.476 11.057 1.00 71.75 4 A 1 ATOM 34 N N . PRO A 1 5 ? -20.286 -2.123 7.209 1.00 85.06 5 A 1 ATOM 35 C CA . PRO A 1 5 ? -19.495 -3.066 6.430 1.00 86.23 5 A 1 ATOM 36 C C . PRO A 1 5 ? -18.025 -2.972 6.831 1.00 87.52 5 A 1 ATOM 37 O O . PRO A 1 5 ? -17.556 -1.932 7.304 1.00 83.67 5 A 1 ATOM 38 C CB . PRO A 1 5 ? -19.736 -2.680 4.972 1.00 82.71 5 A 1 ATOM 39 C CG . PRO A 1 5 ? -20.044 -1.195 5.042 1.00 80.74 5 A 1 ATOM 40 C CD . PRO A 1 5 ? -20.747 -1.029 6.389 1.00 84.13 5 A 1 ATOM 41 N N . ALA A 1 6 ? -17.280 -4.063 6.632 1.00 85.24 6 A 1 ATOM 42 C CA . ALA A 1 6 ? -15.840 -4.063 6.871 1.00 84.96 6 A 1 ATOM 43 C C . ALA A 1 6 ? -15.179 -2.940 6.054 1.00 86.47 6 A 1 ATOM 44 O O . ALA A 1 6 ? -15.452 -2.820 4.857 1.00 83.27 6 A 1 ATOM 45 C CB . ALA A 1 6 ? -15.269 -5.437 6.519 1.00 80.75 6 A 1 ATOM 46 N N . PRO A 1 7 ? -14.347 -2.099 6.665 1.00 84.93 7 A 1 ATOM 47 C CA . PRO A 1 7 ? -13.693 -1.008 5.962 1.00 85.47 7 A 1 ATOM 48 C C . PRO A 1 7 ? -12.774 -1.569 4.876 1.00 86.91 7 A 1 ATOM 49 O O . PRO A 1 7 ? -11.821 -2.303 5.168 1.00 82.94 7 A 1 ATOM 50 C CB . PRO A 1 7 ? -12.943 -0.216 7.042 1.00 81.97 7 A 1 ATOM 51 C CG . PRO A 1 7 ? -12.730 -1.217 8.167 1.00 80.61 7 A 1 ATOM 52 C CD . PRO A 1 7 ? -13.940 -2.135 8.061 1.00 84.04 7 A 1 ATOM 53 N N . LEU A 1 8 ? -13.056 -1.210 3.620 1.00 84.32 8 A 1 ATOM 54 C CA . LEU A 1 8 ? -12.176 -1.484 2.492 1.00 83.37 8 A 1 ATOM 55 C C . LEU A 1 8 ? -10.912 -0.652 2.674 1.00 85.21 8 A 1 ATOM 56 O O . LEU A 1 8 ? -10.851 0.519 2.323 1.00 81.38 8 A 1 ATOM 57 C CB . LEU A 1 8 ? -12.925 -1.186 1.178 1.00 81.00 8 A 1 ATOM 58 C CG . LEU A 1 8 ? -13.327 -2.460 0.428 1.00 76.95 8 A 1 ATOM 59 C CD1 . LEU A 1 8 ? -14.668 -2.276 -0.275 1.00 73.14 8 A 1 ATOM 60 C CD2 . LEU A 1 8 ? -12.279 -2.806 -0.627 1.00 69.92 8 A 1 ATOM 61 N N . LYS A 1 9 ? -9.888 -1.257 3.275 1.00 82.09 9 A 1 ATOM 62 C CA . LYS A 1 9 ? -8.563 -0.655 3.388 1.00 82.27 9 A 1 ATOM 63 C C . LYS A 1 9 ? -7.890 -0.767 2.027 1.00 82.92 9 A 1 ATOM 64 O O . LYS A 1 9 ? -7.270 -1.783 1.724 1.00 80.85 9 A 1 ATOM 65 C CB . LYS A 1 9 ? -7.756 -1.308 4.515 1.00 80.31 9 A 1 ATOM 66 C CG . LYS A 1 9 ? -8.334 -0.955 5.897 1.00 74.45 9 A 1 ATOM 67 C CD . LYS A 1 9 ? -7.474 -1.535 7.024 1.00 72.30 9 A 1 ATOM 68 C CE . LYS A 1 9 ? -8.094 -1.166 8.371 1.00 65.83 9 A 1 ATOM 69 N NZ . LYS A 1 9 ? -7.352 -1.763 9.516 1.00 60.23 9 A 1 ATOM 70 N N . LEU A 1 10 ? -8.030 0.274 1.218 1.00 86.51 10 A 1 ATOM 71 C CA . LEU A 1 10 ? -7.227 0.429 0.017 1.00 85.32 10 A 1 ATOM 72 C C . LEU A 1 10 ? -5.748 0.413 0.416 1.00 87.20 10 A 1 ATOM 73 O O . LEU A 1 10 ? -5.404 0.879 1.505 1.00 82.56 10 A 1 ATOM 74 C CB . LEU A 1 10 ? -7.642 1.727 -0.691 1.00 82.55 10 A 1 ATOM 75 C CG . LEU A 1 10 ? -7.143 1.827 -2.131 1.00 75.47 10 A 1 ATOM 76 C CD1 . LEU A 1 10 ? -7.890 0.858 -3.057 1.00 71.59 10 A 1 ATOM 77 C CD2 . LEU A 1 10 ? -7.370 3.246 -2.652 1.00 70.44 10 A 1 ATOM 78 N N . SER A 1 11 ? -4.884 -0.141 -0.430 1.00 84.95 11 A 1 ATOM 79 C CA . SER A 1 11 ? -3.452 -0.316 -0.182 1.00 83.89 11 A 1 ATOM 80 C C . SER A 1 11 ? -2.812 0.952 0.394 1.00 85.58 11 A 1 ATOM 81 O O . SER A 1 11 ? -2.556 1.916 -0.313 1.00 82.84 11 A 1 ATOM 82 C CB . SER A 1 11 ? -2.752 -0.707 -1.485 1.00 81.07 11 A 1 ATOM 83 O OG . SER A 1 11 ? -3.330 -1.897 -1.994 1.00 70.40 11 A 1 ATOM 84 N N . ARG A 1 12 ? -2.561 0.932 1.714 1.00 86.64 12 A 1 ATOM 85 C CA . ARG A 1 12 ? -1.970 2.057 2.448 1.00 88.58 12 A 1 ATOM 86 C C . ARG A 1 12 ? -0.491 2.242 2.113 1.00 90.62 12 A 1 ATOM 87 O O . ARG A 1 12 ? 0.012 3.359 2.140 1.00 87.67 12 A 1 ATOM 88 C CB . ARG A 1 12 ? -2.210 1.861 3.949 1.00 86.02 12 A 1 ATOM 89 C CG . ARG A 1 12 ? -1.595 0.574 4.503 1.00 78.93 12 A 1 ATOM 90 C CD . ARG A 1 12 ? -1.901 0.398 5.989 1.00 75.26 12 A 1 ATOM 91 N NE . ARG A 1 12 ? -1.224 -0.798 6.528 1.00 69.64 12 A 1 ATOM 92 C CZ . ARG A 1 12 ? -1.737 -2.012 6.646 1.00 67.35 12 A 1 ATOM 93 N NH1 . ARG A 1 12 ? -2.954 -2.295 6.279 1.00 61.48 12 A 1 ATOM 94 N NH2 . ARG A 1 12 ? -1.009 -2.980 7.144 1.00 61.10 12 A 1 ATOM 95 N N . THR A 1 13 ? 0.190 1.142 1.813 1.00 90.62 13 A 1 ATOM 96 C CA . THR A 1 13 ? 1.622 1.147 1.505 1.00 91.48 13 A 1 ATOM 97 C C . THR A 1 13 ? 1.844 0.300 0.262 1.00 93.26 13 A 1 ATOM 98 O O . THR A 1 13 ? 1.677 -0.920 0.329 1.00 92.36 13 A 1 ATOM 99 C CB . THR A 1 13 ? 2.455 0.607 2.673 1.00 89.99 13 A 1 ATOM 100 O OG1 . THR A 1 13 ? 1.917 1.005 3.915 1.00 84.64 13 A 1 ATOM 101 C CG2 . THR A 1 13 ? 3.882 1.131 2.613 1.00 82.10 13 A 1 ATOM 102 N N . PRO A 1 14 ? 2.166 0.910 -0.880 1.00 93.25 14 A 1 ATOM 103 C CA . PRO A 1 14 ? 2.451 0.159 -2.086 1.00 93.37 14 A 1 ATOM 104 C C . PRO A 1 14 ? 3.701 -0.707 -1.895 1.00 94.72 14 A 1 ATOM 105 O O . PRO A 1 14 ? 4.696 -0.263 -1.320 1.00 93.40 14 A 1 ATOM 106 C CB . PRO A 1 14 ? 2.604 1.212 -3.193 1.00 91.03 14 A 1 ATOM 107 C CG . PRO A 1 14 ? 2.942 2.498 -2.465 1.00 88.49 14 A 1 ATOM 108 C CD . PRO A 1 14 ? 2.276 2.333 -1.104 1.00 90.70 14 A 1 ATOM 109 N N . ALA A 1 15 ? 3.654 -1.938 -2.407 1.00 94.29 15 A 1 ATOM 110 C CA . ALA A 1 15 ? 4.775 -2.877 -2.321 1.00 94.82 15 A 1 ATOM 111 C C . ALA A 1 15 ? 6.055 -2.317 -2.969 1.00 96.13 15 A 1 ATOM 112 O O . ALA A 1 15 ? 7.157 -2.612 -2.515 1.00 94.84 15 A 1 ATOM 113 C CB . ALA A 1 15 ? 4.348 -4.185 -2.989 1.00 93.47 15 A 1 ATOM 114 N N . LEU A 1 16 ? 5.902 -1.453 -3.974 1.00 95.06 16 A 1 ATOM 115 C CA . LEU A 1 16 ? 7.019 -0.761 -4.621 1.00 95.26 16 A 1 ATOM 116 C C . LEU A 1 16 ? 7.800 0.122 -3.646 1.00 96.19 16 A 1 ATOM 117 O O . LEU A 1 16 ? 9.020 0.197 -3.738 1.00 95.80 16 A 1 ATOM 118 C CB . LEU A 1 16 ? 6.481 0.095 -5.777 1.00 94.99 16 A 1 ATOM 119 C CG . LEU A 1 16 ? 5.925 -0.716 -6.954 1.00 91.56 16 A 1 ATOM 120 C CD1 . LEU A 1 16 ? 5.274 0.228 -7.960 1.00 87.52 16 A 1 ATOM 121 C CD2 . LEU A 1 16 ? 7.024 -1.505 -7.664 1.00 86.87 16 A 1 ATOM 122 N N . LEU A 1 17 ? 7.115 0.750 -2.697 1.00 95.76 17 A 1 ATOM 123 C CA . LEU A 1 17 ? 7.757 1.571 -1.672 1.00 95.26 17 A 1 ATOM 124 C C . LEU A 1 17 ? 8.585 0.707 -0.719 1.00 96.17 17 A 1 ATOM 125 O O . LEU A 1 17 ? 9.712 1.067 -0.382 1.00 95.90 17 A 1 ATOM 126 C CB . LEU A 1 17 ? 6.672 2.378 -0.942 1.00 94.64 17 A 1 ATOM 127 C CG . LEU A 1 17 ? 6.947 3.887 -0.939 1.00 88.24 17 A 1 ATOM 128 C CD1 . LEU A 1 17 ? 5.657 4.655 -0.692 1.00 85.38 17 A 1 ATOM 129 C CD2 . LEU A 1 17 ? 7.958 4.274 0.129 1.00 85.36 17 A 1 ATOM 130 N N . ALA A 1 18 ? 8.052 -0.462 -0.342 1.00 96.29 18 A 1 ATOM 131 C CA . ALA A 1 18 ? 8.778 -1.423 0.484 1.00 96.02 18 A 1 ATOM 132 C C . ALA A 1 18 ? 10.008 -2.006 -0.235 1.00 96.73 18 A 1 ATOM 133 O O . ALA A 1 18 ? 10.984 -2.360 0.423 1.00 95.56 18 A 1 ATOM 134 C CB . ALA A 1 18 ? 7.806 -2.528 0.912 1.00 95.11 18 A 1 ATOM 135 N N . LEU A 1 19 ? 9.970 -2.086 -1.565 1.00 96.38 19 A 1 ATOM 136 C CA . LEU A 1 19 ? 11.108 -2.529 -2.373 1.00 95.94 19 A 1 ATOM 137 C C . LEU A 1 19 ? 12.135 -1.408 -2.583 1.00 96.45 19 A 1 ATOM 138 O O . LEU A 1 19 ? 13.339 -1.654 -2.540 1.00 95.37 19 A 1 ATOM 139 C CB . LEU A 1 19 ? 10.572 -3.039 -3.718 1.00 95.25 19 A 1 ATOM 140 C CG . LEU A 1 19 ? 11.623 -3.822 -4.514 1.00 90.41 19 A 1 ATOM 141 C CD1 . LEU A 1 19 ? 11.678 -5.282 -4.061 1.00 86.79 19 A 1 ATOM 142 C CD2 . LEU A 1 19 ? 11.297 -3.785 -6.002 1.00 86.27 19 A 1 ATOM 143 N N . ALA A 1 20 ? 11.664 -0.189 -2.816 1.00 97.05 20 A 1 ATOM 144 C CA . ALA A 1 20 ? 12.526 0.961 -3.088 1.00 96.93 20 A 1 ATOM 145 C C . ALA A 1 20 ? 13.272 1.453 -1.842 1.00 97.37 20 A 1 ATOM 146 O O . ALA A 1 20 ? 14.386 1.959 -1.968 1.00 96.51 20 A 1 ATOM 147 C CB . ALA A 1 20 ? 11.672 2.076 -3.694 1.00 96.33 20 A 1 ATOM 148 N N . LEU A 1 21 ? 12.687 1.291 -0.661 1.00 96.69 21 A 1 ATOM 149 C CA . LEU A 1 21 ? 13.289 1.727 0.601 1.00 96.14 21 A 1 ATOM 150 C C . LEU A 1 21 ? 14.671 1.094 0.853 1.00 96.66 21 A 1 ATOM 151 O O . LEU A 1 21 ? 15.634 1.842 1.043 1.00 95.89 21 A 1 ATOM 152 C CB . LEU A 1 21 ? 12.304 1.464 1.752 1.00 95.26 21 A 1 ATOM 153 C CG . LEU A 1 21 ? 12.548 2.387 2.953 1.00 90.63 21 A 1 ATOM 154 C CD1 . LEU A 1 21 ? 11.568 3.552 2.937 1.00 87.26 21 A 1 ATOM 155 C CD2 . LEU A 1 21 ? 12.382 1.620 4.261 1.00 86.72 21 A 1 ATOM 156 N N . PRO A 1 22 ? 14.828 -0.244 0.834 1.00 96.77 22 A 1 ATOM 157 C CA . PRO A 1 22 ? 16.138 -0.870 1.042 1.00 96.53 22 A 1 ATOM 158 C C . PRO A 1 22 ? 17.106 -0.582 -0.107 1.00 97.10 22 A 1 ATOM 159 O O . PRO A 1 22 ? 18.306 -0.454 0.131 1.00 96.18 22 A 1 ATOM 160 C CB . PRO A 1 22 ? 15.848 -2.373 1.182 1.00 95.53 22 A 1 ATOM 161 C CG . PRO A 1 22 ? 14.542 -2.570 0.446 1.00 94.72 22 A 1 ATOM 162 C CD . PRO A 1 22 ? 13.802 -1.262 0.699 1.00 96.43 22 A 1 ATOM 163 N N . LEU A 1 23 ? 16.606 -0.440 -1.332 1.00 96.76 23 A 1 ATOM 164 C CA . LEU A 1 23 ? 17.432 -0.076 -2.481 1.00 96.46 23 A 1 ATOM 165 C C . LEU A 1 23 ? 18.010 1.332 -2.324 1.00 97.07 23 A 1 ATOM 166 O O . LEU A 1 23 ? 19.208 1.536 -2.530 1.00 96.84 23 A 1 ATOM 167 C CB . LEU A 1 23 ? 16.587 -0.184 -3.756 1.00 96.03 23 A 1 ATOM 168 C CG . LEU A 1 23 ? 17.437 -0.105 -5.030 1.00 90.05 23 A 1 ATOM 169 C CD1 . LEU A 1 23 ? 18.077 -1.453 -5.349 1.00 86.39 23 A 1 ATOM 170 C CD2 . LEU A 1 23 ? 16.577 0.323 -6.215 1.00 87.73 23 A 1 ATOM 171 N N . ALA A 1 24 ? 17.174 2.290 -1.925 1.00 97.19 24 A 1 ATOM 172 C CA . ALA A 1 24 ? 17.615 3.654 -1.659 1.00 96.94 24 A 1 ATOM 173 C C . ALA A 1 24 ? 18.593 3.709 -0.480 1.00 97.49 24 A 1 ATOM 174 O O . ALA A 1 24 ? 19.590 4.420 -0.555 1.00 96.86 24 A 1 ATOM 175 C CB . ALA A 1 24 ? 16.384 4.531 -1.416 1.00 96.27 24 A 1 ATOM 176 N N . ALA A 1 25 ? 18.362 2.930 0.567 1.00 97.18 25 A 1 ATOM 177 C CA . ALA A 1 25 ? 19.265 2.842 1.712 1.00 96.73 25 A 1 ATOM 178 C C . ALA A 1 25 ? 20.620 2.209 1.355 1.00 97.19 25 A 1 ATOM 179 O O . ALA A 1 25 ? 21.622 2.530 1.986 1.00 96.36 25 A 1 ATOM 180 C CB . ALA A 1 25 ? 18.571 2.047 2.822 1.00 95.96 25 A 1 ATOM 181 N N . ALA A 1 26 ? 20.679 1.346 0.351 1.00 97.01 26 A 1 ATOM 182 C CA . ALA A 1 26 ? 21.934 0.775 -0.140 1.00 96.83 26 A 1 ATOM 183 C C . ALA A 1 26 ? 22.723 1.752 -1.031 1.00 97.28 26 A 1 ATOM 184 O O . ALA A 1 26 ? 23.938 1.605 -1.169 1.00 96.19 26 A 1 ATOM 185 C CB . ALA A 1 26 ? 21.613 -0.523 -0.889 1.00 96.32 26 A 1 ATOM 186 N N . LEU A 1 27 ? 22.033 2.719 -1.643 1.00 95.96 27 A 1 ATOM 187 C CA . LEU A 1 27 ? 22.643 3.736 -2.503 1.00 95.21 27 A 1 ATOM 188 C C . LEU A 1 27 ? 23.082 4.981 -1.728 1.00 95.60 27 A 1 ATOM 189 O O . LEU A 1 27 ? 24.021 5.651 -2.156 1.00 94.40 27 A 1 ATOM 190 C CB . LEU A 1 27 ? 21.634 4.124 -3.599 1.00 94.20 27 A 1 ATOM 191 C CG . LEU A 1 27 ? 21.419 3.040 -4.668 1.00 90.61 27 A 1 ATOM 192 C CD1 . LEU A 1 27 ? 20.194 3.380 -5.511 1.00 85.30 27 A 1 ATOM 193 C CD2 . LEU A 1 27 ? 22.619 2.923 -5.601 1.00 83.57 27 A 1 ATOM 194 N N . ALA A 1 28 ? 22.408 5.279 -0.630 1.00 92.61 28 A 1 ATOM 195 C CA . ALA A 1 28 ? 22.666 6.448 0.214 1.00 90.60 28 A 1 ATOM 196 C C . ALA A 1 28 ? 23.606 6.106 1.365 1.00 88.19 28 A 1 ATOM 197 O O . ALA A 1 28 ? 24.503 6.925 1.654 1.00 85.23 28 A 1 ATOM 198 C CB . ALA A 1 28 ? 21.330 7.003 0.723 1.00 86.54 28 A 1 ATOM 199 O OXT . ALA A 1 28 ? 23.410 5.016 1.976 1.00 76.75 28 A 1 #